[2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate

Systemtic Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxidanylidene-ethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Openeye Name: [2-[methyl(3-thienylmethyl)amino]-2-oxo-ethyl] 4-(thiazol-4-ylmethylsulfanyl)benzoate CAS Name: 4-(4-thiazolylmethylthio)benzoic acid [2-[methyl(3-thiophenylmethyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl(thiophen-3-ylmethyl)amino]-2-oxoethyl] 4-(1,3-thiazol-4-ylmethylsulfanyl)benzoate Traditional Name: 4-(thiazol-4-ylmethylthio)benzoic acid [2-keto-2-[methyl(3-thenyl)amino]ethyl] ester Formula: C19H18N2O3S3 MolecularWeight: 418.55282

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

Isomeric SMILES

CN(CC1=CSC=C1)C(=O)COC(=O)C2=CC=C(C=C2)SCC3=CSC=N3

InChI

InChI=1S/C19H18N2O3S3/c1-21(8-14-6-7-25-10-14)18(22)9-24-19(23)15-2-4-17(5-3-15)27-12-16-11-26-13-20-16/h2-7,10-11,13H,8-9,12H2,1H3